Perilla alcohol
PubChem CID: 369312
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| Compound Synonyms | (-)-Perillyl alcohol, 18457-55-1, (S)-(-)-Perillyl alcohol, Perilla alcohol, (-)-Perillylalcohol, (S)-Perillyl alcohol, Perycorolle, (S)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol, (-)-Perilla alcohol, (S)-(?)-Perillyl alcohol, 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, (4S)-, (-)-p-Mentha-1,8-dien-7-ol, UNII-3UL4QIY642, [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol, 3UL4QIY642, NEO100, [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol, NEO-100, (S)-p-Mentha-1,8-dien-7-ol, MFCD00062995, (S)-4-Isopropenyl-1-cyclohexenylmethanol, Perillic alcohol, CHEBI:10782, NSC-641066, 1-Cyclohexene-1-methanol, 4-(1-methylethenyl), Dl-perillyl alcohol, (S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol, (+/-)-PERILLYL ALCOHOL, p-Mentha-1,8-diene-7-ol, perillyl-alcohol, (4S)-perillyl alcohol, bmse000559, (S)-()-Perillyl alcohol, perilla alcohol, (S)-isomer, MLS002695966, SCHEMBL569985, CHEMBL236687, (S)-(-)-Perillyl alcohol, 96%, NSC641066, AKOS016843795, (S)-(?)-Perillyl alcohol (Standard), DB15289, HY-116514R, LMPR0102090008, AS-57413, FP177714, NCI60_013758, SMR001562123, (-)-Perillyl alcohol, analytical standard, HY-116514, (S)-(-)-Perillyl alcohol, >=95%, FG, CS-0065677, NS00116176, (4-Isopropenyl-1-cyclohexen-1-yl)methanol #, C02452, F16807, EN300-7353047, (S)-(4-(prop-1-en-2-yl)cyclohex-1-enyl)methanol, Q27108674, Z1255486314, (S)-p-Mentha-1,8-dien-7-ol, (S)-4-Isopropenyl-1-cyclohexenylmethanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., O75496, Q13148, Q9Y6L6, Q9NPD5, P53350, P0DTD1 |
| Iupac Name | [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | NDTYTMIUWGWIMO-SNVBAGLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.743 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.403 |
| Compound Name | Perilla alcohol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6489694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1 |
| Smiles | CC(=C)[C@H]1CCC(=CC1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all